ethyl 2-chloro-4-(propylcarbamoyl)-1,3-thiazole-5-carboxylate

C10H13ClN2O3S — CID 59208389

IUPACethyl 2-chloro-4-(propylcarbamoyl)-1,3-thiazole-5-carboxylate
SMILESCCCNC(=O)c1nc(Cl)sc1C(=O)OCC
InChIInChI=1S/C10H13ClN2O3S/c1-3-5-12-8(14)6-7(9(15)16-4-2)17-10(11)13-6/h3-5H2,1-2H3,(H,12,14)
InChIKeyDQMJMBQTOGPINO-UHFFFAOYSA-N
MW276.75 g/mol
LogP2.11
Rot. Bonds5

About ethyl 2-chloro-4-(propylcarbamoyl)-1,3-thiazole-5-carboxylate

ethyl 2-chloro-4-(propylcarbamoyl)-1,3-thiazole-5-carboxylate (PubChem CID 59208389) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.75 g/mol. Its IUPAC name is ethyl 2-chloro-4-(propylcarbamoyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-4-(propylcarbamoyl)-1,3-thiazole-5-carboxylate
PubChem CID59208389
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.75 g/mol
Exact Mass276.03
IUPAC Nameethyl 2-chloro-4-(propylcarbamoyl)-1,3-thiazole-5-carboxylate
SMILESCCCNC(=O)c1nc(Cl)sc1C(=O)OCC
InChIInChI=1S/C10H13ClN2O3S/c1-3-5-12-8(14)6-7(9(15)16-4-2)17-10(11)13-6/h3-5H2,1-2H3,(H,12,14)
InChIKeyDQMJMBQTOGPINO-UHFFFAOYSA-N
XLogP2.11
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-(propylcarbamoyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-chloro-4-(propylcarbamoyl)-1,3-thiazole-5-carboxylate (CID 59208389) is ethyl 2-chloro-4-(propylcarbamoyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-chloro-4-(propylcarbamoyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-chloro-4-(propylcarbamoyl)-1,3-thiazole-5-carboxylate is CCCNC(=O)c1nc(Cl)sc1C(=O)OCC.
What is the InChIKey of ethyl 2-chloro-4-(propylcarbamoyl)-1,3-thiazole-5-carboxylate?
The InChIKey is DQMJMBQTOGPINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c1-3-5-12-8(14)6-7(9(15)16-4-2)17-10(11)13-6/h3-5H2,1-2H3,(H,12,14).
What are the key properties of ethyl 2-chloro-4-(propylcarbamoyl)-1,3-thiazole-5-carboxylate?
ethyl 2-chloro-4-(propylcarbamoyl)-1,3-thiazole-5-carboxylate has a molecular weight of 276.75 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-(propylcarbamoyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59208389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).